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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10719 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2013-09-05 18:36:42 +00:00
parent b3b26852c4
commit 5994980c73
2 changed files with 10 additions and 12 deletions
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4
src/fix_property_atom.cpp
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@ -172,7 +172,7 @@ void FixPropertyAtom::read_data_section(char *keyword, int n, char *buf)
char **values = new char*[nwords]; char **values = new char*[nwords];
// loop over lines of atom velocities // loop over lines of atom info
// tokenize the line into values // tokenize the line into values
// if I own atom tag, unpack its values // if I own atom tag, unpack its values
@ -272,7 +272,7 @@ void FixPropertyAtom::write_data_section_pack(int mth, double **buf)
void FixPropertyAtom::write_data_section_keyword(int mth, FILE *fp) void FixPropertyAtom::write_data_section_keyword(int mth, FILE *fp)
{ {
if (nvalue == 1 && style[0] == MOLECULE) fprintf(fp,"\nMolecule\n\n"); if (nvalue == 1 && style[0] == MOLECULE) fprintf(fp,"\nMolecules\n\n");
else fprintf(fp,"\n%s\n\n",id); else fprintf(fp,"\n%s\n\n",id);
} }

18
src/velocity.cpp
View File

@ -632,27 +632,25 @@ void Velocity::zero(int narg, char **arg)
if (strcmp(arg[0],"linear") == 0) { if (strcmp(arg[0],"linear") == 0) {
if (rfix < 0) zero_momentum(); if (rfix < 0) zero_momentum();
else { else {
if (strcmp(modify->fix[rfix]->style,"rigid") == 0) if (strcmp(modify->fix[rfix]->style,"rigid/small") == 0) {
((FixRigid *) modify->fix[rfix])->zero_momentum(igroup);
else if (strcmp(modify->fix[rfix]->style,"rigid/small") == 0) {
lmp->init(); lmp->init();
((FixRigidSmall *) modify->fix[rfix])->setup_pre_neighbor(); ((FixRigidSmall *) modify->fix[rfix])->setup_pre_neighbor();
((FixRigidSmall *) modify->fix[rfix])->zero_momentum(igroup); ((FixRigidSmall *) modify->fix[rfix])->zero_momentum(igroup);
} } else if (strstr(modify->fix[rfix]->style,"rigid")) {
else error->all(FLERR,"Velocity rigid used with non-rigid fix-ID"); ((FixRigid *) modify->fix[rfix])->zero_momentum(igroup);
} else error->all(FLERR,"Velocity rigid used with non-rigid fix-ID");
} }
} else if (strcmp(arg[0],"angular") == 0) { } else if (strcmp(arg[0],"angular") == 0) {
if (rfix < 0) zero_rotation(); if (rfix < 0) zero_rotation();
else { else {
if (strcmp(modify->fix[rfix]->style,"rigid") == 0) if (strcmp(modify->fix[rfix]->style,"rigid/small") == 0) {
((FixRigid *) modify->fix[rfix])->zero_rotation(igroup);
else if (strcmp(modify->fix[rfix]->style,"rigid/small") == 0) {
lmp->init(); lmp->init();
((FixRigidSmall *) modify->fix[rfix])->setup_pre_neighbor(); ((FixRigidSmall *) modify->fix[rfix])->setup_pre_neighbor();
((FixRigidSmall *) modify->fix[rfix])->zero_rotation(igroup); ((FixRigidSmall *) modify->fix[rfix])->zero_rotation(igroup);
} } else if (strstr(modify->fix[rfix]->style,"rigid")) {
else error->all(FLERR,"Velocity rigid used with non-rigid fix-ID"); ((FixRigid *) modify->fix[rfix])->zero_rotation(igroup);
} else error->all(FLERR,"Velocity rigid used with non-rigid fix-ID");
} }
} else error->all(FLERR,"Illegal velocity command"); } else error->all(FLERR,"Illegal velocity command");